SCHEMBL14101230

SCHEMBL14101230

COC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ncccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
MITF O75030 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KLK5 Q9Y337 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
S1PR3 Q99500 1/20 0.37
SCN9A Q15858 3/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
CYP3A4 P08684 2/20 0.36
RAB9A P51151 2/20 0.36
ATR Q13535 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4172572 0.89 S1PR3 (0.41) ALDH1A1TRPM8CTSSCTSKMAPT
SCHEMBL18683503 0.81 CTSS (0.42) ALDH1A1CTSSCTSKMAPTLMNA
SCHEMBL3196849 0.77 CTSK (0.39) ALDH1A1TRPM8CTSSCTSKMAPT
Lithium Ion SCHEMBL23200770 0.76 S1PR3 (0.42) TRPM8CTSSCTSKAAK1S1PR3
SCHEMBL4707517 0.76 PPARA (0.44) CTSSCTSKMAPTSCN9ASCN10A
SCHEMBL24872366 0.75 NPC1 (0.44) ALDH1A1CTSSCTSKMAPTLMNA
SCHEMBL6784979 0.75 CTSK (0.49) CTSSCTSKMAPTKLK5PPARG
SCHEMBL12068193 0.75 CTSK (0.49) CTSSCTSKMAPTKLK5PPARG
SCHEMBL12069800 0.75 CTSK (0.49) CTSSCTSKMAPTKLK5PPARG
SCHEMBL4186308 0.74 TRPM8 (0.39) TRPM8MAPTLMNAHPGDMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023053054-A1 PROCESS FOR THE PREPARATION OF TAXANE DERIVATIVES INDENA S.P.A. (IT) 2023-04-06 WO disclosed
EP-1221445-B1 PENTACYCLIC TAXANE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2008-08-20 EP disclosed